4-methoxy-6-(4-nitrophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide

C14H11N7O4 — CID 12784870

IUPAC4-methoxy-6-(4-nitrophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
SMILESCOc1cc(C(=O)Nc2nn[nH]n2)nc(-c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C14H11N7O4/c1-25-10-6-11(8-2-4-9(5-3-8)21(23)24)15-12(7-10)13(22)16-14-17-19-20-18-14/h2-7H,1H3,(H2,16,17,18,19,20,22)
InChIKeyMJUGQQDMMGFRET-UHFFFAOYSA-N
MW341.29 g/mol
LogP1.43
Rot. Bonds5

About 4-methoxy-6-(4-nitrophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide

4-methoxy-6-(4-nitrophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide (PubChem CID 12784870) has the molecular formula C14H11N7O4 and a molecular weight of 341.29 g/mol. Its IUPAC name is 4-methoxy-6-(4-nitrophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-6-(4-nitrophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
PubChem CID12784870
Molecular FormulaC14H11N7O4
Molecular Weight341.29 g/mol
Exact Mass341.09
IUPAC Name4-methoxy-6-(4-nitrophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
SMILESCOc1cc(C(=O)Nc2nn[nH]n2)nc(-c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C14H11N7O4/c1-25-10-6-11(8-2-4-9(5-3-8)21(23)24)15-12(7-10)13(22)16-14-17-19-20-18-14/h2-7H,1H3,(H2,16,17,18,19,20,22)
InChIKeyMJUGQQDMMGFRET-UHFFFAOYSA-N
XLogP1.43
TPSA148.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 70528241
CID 70528241
6-(3-nitrophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
CID 20537499
2-chloro-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-4-nitrobenzamide
CID 9246363
[4-(4-fluorophenyl)-6-(4-nitrophenyl)pyrimidin-2-yl]urea
CID 46704086
1,3-dimethoxy-5-(4-nitrophenyl)benzene
CID 101434697
1-(2H-tetrazol-5-yl)-3-(2,4,6-trimethoxyphenyl)urea
CID 10851307
6-methoxy-4-methyl-3-oxo-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide
CID 21491304
3-(4-fluorophenyl)-N-(3-methoxy-5-nitrophenyl)-1H-pyrazole-5-carboxamide
CID 19514504
2-(4-methoxyphenyl)-4-(4-nitrophenyl)pyridine
CID 141380203
3-(4-methoxyphenyl)-N-[1-(4-nitrophenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 1243305
N-[2-(4-methoxyphenyl)-5-nitrophenyl]acetamide
CID 102103939
2-methyl-6-nitro-N-(2H-tetrazol-5-yl)benzamide
CID 13267886

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(4-nitrophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
The IUPAC name of 4-methoxy-6-(4-nitrophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide (CID 12784870) is 4-methoxy-6-(4-nitrophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-methoxy-6-(4-nitrophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-methoxy-6-(4-nitrophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide is COc1cc(C(=O)Nc2nn[nH]n2)nc(-c2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of 4-methoxy-6-(4-nitrophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
The InChIKey is MJUGQQDMMGFRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N7O4/c1-25-10-6-11(8-2-4-9(5-3-8)21(23)24)15-12(7-10)13(22)16-14-17-19-20-18-14/h2-7H,1H3,(H2,16,17,18,19,20,22).
What are the key properties of 4-methoxy-6-(4-nitrophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
4-methoxy-6-(4-nitrophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide has a molecular weight of 341.29 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(4-nitrophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 12784870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).